Natural Band Alignments and Band Offsets of Sb2Se3 Solar Cells

Huw Shiel, Oliver S. Hutter, Laurie J. Phillips, Jack E. N. Swallow, Leanne A. H. Jones, Thomas J. Featherstone, Matthew J. Smiles, Pardeep K. Thakur, Tien-Lin Lee, Vinod R. Dhanak, Jonathan D. Major, Tim D. Veal

Research output: Contribution to journalArticlepeer-review

42 Citations (Scopus)
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Sb2Se3 is a promising material for use in photovoltaics, but the optimum device structure has not yet been identified. This study provides band alignment measurements between Sb2Se3, identical to that used in high-efficiency photovoltaic devices, and its two most commonly used window layers, namely, CdS and TiO2. Band alignments are measured via two different approaches: Anderson’s rule was used to predict an interface band alignment from measured natural band alignments, and the Kraut method was used in conjunction with hard X-ray photoemission spectroscopy to directly measure the band offsets at the interface. This allows examination of the effect of interface formation on the band alignments. The conduction band minimum (CBM) of TiO2 is found by the Kraut method to lie 0.82 eV below that of Sb2Se3, whereas the CdS CBM is only 0.01 eV below that of Sb2Se3. Furthermore, a significant difference is observed between the natural alignment- and Kraut method-determined offsets for TiO2/Sb2Se3, whereas there is little difference for CdS/Sb2Se3. Finally, these results are related to device performance, taking into consideration how these results may guide the future development of Sb2Se3 solar cells and providing a methodology that can be used to assess band alignments in device-relevant systems.
Original languageEnglish
Pages (from-to)11617-11626
Number of pages10
JournalACS Applied Energy Materials
Issue number12
Early online date15 Dec 2020
Publication statusPublished - 28 Dec 2020


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